5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride

C7H2BrCl2F2NO — CID 130108425

IUPAC5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(Br)c(C(F)F)c1Cl
InChIInChI=1S/C7H2BrCl2F2NO/c8-2-1-13-5(6(10)14)4(9)3(2)7(11)12/h1,7H
InChIKeyJQICKZPPFOQQJW-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.81
Rot. Bonds2

About 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride

5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 130108425) has the molecular formula C7H2BrCl2F2NO and a molecular weight of 304.91 g/mol. Its IUPAC name is 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID130108425
Molecular FormulaC7H2BrCl2F2NO
Molecular Weight304.91 g/mol
Exact Mass302.87
IUPAC Name5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(Br)c(C(F)F)c1Cl
InChIInChI=1S/C7H2BrCl2F2NO/c8-2-1-13-5(6(10)14)4(9)3(2)7(11)12/h1,7H
InChIKeyJQICKZPPFOQQJW-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
CID 130110573
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
5-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylic acid
CID 130069949
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
4-bromo-3-chloropyridine-2-carbonyl chloride
CID 150388964

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride (CID 130108425) is 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride is O=C(Cl)c1ncc(Br)c(C(F)F)c1Cl.
What is the InChIKey of 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is JQICKZPPFOQQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F2NO/c8-2-1-13-5(6(10)14)4(9)3(2)7(11)12/h1,7H.
What are the key properties of 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride?
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 304.91 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 130108425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).